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1bsp

THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS

Method: X-RAY DIFFRACTION D_max: 75.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bsp
deposition_date	1998-07-09
title	THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
keywords	METHYLTRANSFERASE, DTMP SYNTHASE; METHYLTRANSFERASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	24.91 Å
rg_electron	23.74 Å
i0	70167700.00
molecular_weight	65396.0 kDa
excluded_volume	81754 Å³
envelope_volume	96301 Å³
shell_volume	32392 Å³
envelope_diameter	78.1 Å
shell_rg	32.24 Å
envelope_rg	24.01 Å
shape_rg	23.73 Å
total_rg	24.67 Å
total_atoms	4658
n_residues	555
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	75.5 Å
rg_real	24.73 Å
rg_real_error	0.28 Å
i0_real	7.0170e+07
i0_real_error	7.6850e+05
rg_reciprocal	24.78 Å
i0_reciprocal	70170000.0000
total_estimate	0.9039
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	31.1 Å
skewness	0.163
kurtosis	-0.416
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	12740000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.922; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.995

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	THYMIDYLATE SYNTHASE A
formula_weight	32717.0 kDa
ec_number	2.1.1.45
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4841

TQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVISKQMRFDNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNMMGVHIWDQWKQEDGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDELDAMALTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYDFTIDDFKLINYKHGDKLLFEVAV

Source

organism	Bacillus subtilis
ncbi_taxonomy_id	1423
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	183

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6. Citations (3)

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length_a	57.223 Å
length_b	97.438 Å
length_c	118.019 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.500 Å
resolution_low	50.000 Å
r_factor	0.1810
r_work	0.1810
r_free	0.2600

fit	/app/data/saxs_computation/bs/1bsp/1bsp.fit
pddf	/app/data/pr_computation/bs/1bsp/1bsp.pr.out
profile	/app/data/saxs_computation/bs/1bsp/1bsp.dat

THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction